N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide

C17H25NO4 — CID 52574017

IUPACN-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide
SMILESCCN(C(=O)c1cc(OC)c(OC)cc1OC)C1CCCC1
InChIInChI=1S/C17H25NO4/c1-5-18(12-8-6-7-9-12)17(19)13-10-15(21-3)16(22-4)11-14(13)20-2/h10-12H,5-9H2,1-4H3
InChIKeyFDXUCTKEHLFHAI-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.12
Rot. Bonds6

About N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide

N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide (PubChem CID 52574017) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide
PubChem CID52574017
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC NameN-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide
SMILESCCN(C(=O)c1cc(OC)c(OC)cc1OC)C1CCCC1
InChIInChI=1S/C17H25NO4/c1-5-18(12-8-6-7-9-12)17(19)13-10-15(21-3)16(22-4)11-14(13)20-2/h10-12H,5-9H2,1-4H3
InChIKeyFDXUCTKEHLFHAI-UHFFFAOYSA-N
XLogP3.12
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-cyclopentyl-N-ethyl-2-methoxybenzamide
CID 61094826
2-amino-N-cyclopropyl-N-ethyl-4,5-dimethoxybenzamide
CID 43263713
N-cyclopentyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
CID 134060927
4-(2-bromoacetyl)-N-cyclohexyl-N-ethyl-3-methoxybenzamide
CID 87232998
N-cyclohexyl-5-ethoxy-N-ethyl-4-methoxy-2-nitrobenzamide
CID 24632569
N-cyclohexyl-N-ethyl-2,3-dimethoxybenzamide
CID 134010441
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
N-(azetidin-3-yl)-N-ethyl-2-methoxy-5-methylbenzamide
CID 66181476
N-cyclopentyl-N-ethyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 55588122
N-cyclobutyl-4,5-dimethoxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 71856752
2-amino-5-chloro-N-cyclopentyl-N-ethylbenzamide
CID 43540646

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide?
The IUPAC name of N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide (CID 52574017) is N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide is CCN(C(=O)c1cc(OC)c(OC)cc1OC)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide?
The InChIKey is FDXUCTKEHLFHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-5-18(12-8-6-7-9-12)17(19)13-10-15(21-3)16(22-4)11-14(13)20-2/h10-12H,5-9H2,1-4H3.
What are the key properties of N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide?
N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide has a molecular weight of 307.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 52574017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).